N-[1-(3-fluorophenyl)propan-2-yl]cyclopropanamine

C12H16FN — CID 115704573

IUPACN-[1-(3-fluorophenyl)propan-2-yl]cyclopropanamine
SMILESCC(Cc1cccc(F)c1)NC1CC1
InChIInChI=1S/C12H16FN/c1-9(14-12-5-6-12)7-10-3-2-4-11(13)8-10/h2-4,8-9,12,14H,5-7H2,1H3
InChIKeyDNBVAOQNIHSIPB-UHFFFAOYSA-N
MW193.27 g/mol
LogP2.51
Rot. Bonds4

About N-[1-(3-fluorophenyl)propan-2-yl]cyclopropanamine

N-[1-(3-fluorophenyl)propan-2-yl]cyclopropanamine (PubChem CID 115704573) has the molecular formula C12H16FN and a molecular weight of 193.27 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)propan-2-yl]cyclopropanamine.

Molecular Properties

Compound NameN-[1-(3-fluorophenyl)propan-2-yl]cyclopropanamine
PubChem CID115704573
Molecular FormulaC12H16FN
Molecular Weight193.27 g/mol
Exact Mass193.13
IUPAC NameN-[1-(3-fluorophenyl)propan-2-yl]cyclopropanamine
SMILESCC(Cc1cccc(F)c1)NC1CC1
InChIInChI=1S/C12H16FN/c1-9(14-12-5-6-12)7-10-3-2-4-11(13)8-10/h2-4,8-9,12,14H,5-7H2,1H3
InChIKeyDNBVAOQNIHSIPB-UHFFFAOYSA-N
XLogP2.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(3-fluorophenyl)propan-2-yl]-1-oxothian-4-amine
CID 114830841
N-[1-(3-fluorophenyl)propan-2-yl]-1-methylsulfonylpiperidin-4-amine
CID 115708819
N-[1-(3-fluorophenyl)propan-2-yl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 114830677
3-[1-(3-fluorophenyl)propan-2-ylamino]cyclohexan-1-ol
CID 113260471
N-[1-(3-fluorophenyl)propan-2-yl]-1,2-dimethylpiperidin-4-amine
CID 115723737
N-[4-(3-fluorophenyl)-2,3-dimethylbutyl]cyclopropanamine
CID 81016597
N-[1-(3-fluorophenyl)propan-2-yl]-2,3-dihydro-1H-inden-1-amine
CID 115708061
3-(3-fluorophenyl)-N-(1-phenylpropan-2-yl)cyclobutan-1-amine
CID 63010559
N-[1-(3-chlorophenyl)propan-2-yl]cyclopentanamine
CID 43694776
N-[1-(3-bromophenyl)propan-2-yl]cyclopentanamine
CID 82262667
4-N-[1-(3-chlorophenyl)propan-2-yl]cyclohexane-1,4-diamine
CID 79724820
3-[1-(3-fluorophenyl)propan-2-ylamino]-2,2-dimethylcyclobutan-1-ol
CID 115977773

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenyl)propan-2-yl]cyclopropanamine?
The IUPAC name of N-[1-(3-fluorophenyl)propan-2-yl]cyclopropanamine (CID 115704573) is N-[1-(3-fluorophenyl)propan-2-yl]cyclopropanamine.
What is the SMILES notation for N-[1-(3-fluorophenyl)propan-2-yl]cyclopropanamine?
The canonical SMILES for N-[1-(3-fluorophenyl)propan-2-yl]cyclopropanamine is CC(Cc1cccc(F)c1)NC1CC1.
What is the InChIKey of N-[1-(3-fluorophenyl)propan-2-yl]cyclopropanamine?
The InChIKey is DNBVAOQNIHSIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN/c1-9(14-12-5-6-12)7-10-3-2-4-11(13)8-10/h2-4,8-9,12,14H,5-7H2,1H3.
What are the key properties of N-[1-(3-fluorophenyl)propan-2-yl]cyclopropanamine?
N-[1-(3-fluorophenyl)propan-2-yl]cyclopropanamine has a molecular weight of 193.27 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorophenyl)propan-2-yl]cyclopropanamine is sourced from PubChem (CID 115704573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).